2-[tert-butyl-[2-(2-chloroanilino)-2-oxoethyl]amino]acetic acid

C14H19ClN2O3 — CID 79268949

IUPAC2-[tert-butyl-[2-(2-chloroanilino)-2-oxoethyl]amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C14H19ClN2O3/c1-14(2,3)17(9-13(19)20)8-12(18)16-11-7-5-4-6-10(11)15/h4-7H,8-9H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyHDOJDYCRQPJGBT-UHFFFAOYSA-N
MW298.77 g/mol
LogP2.46
Rot. Bonds5

About 2-[tert-butyl-[2-(2-chloroanilino)-2-oxoethyl]amino]acetic acid

2-[tert-butyl-[2-(2-chloroanilino)-2-oxoethyl]amino]acetic acid (PubChem CID 79268949) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-[tert-butyl-[2-(2-chloroanilino)-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[2-(2-chloroanilino)-2-oxoethyl]amino]acetic acid
PubChem CID79268949
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name2-[tert-butyl-[2-(2-chloroanilino)-2-oxoethyl]amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C14H19ClN2O3/c1-14(2,3)17(9-13(19)20)8-12(18)16-11-7-5-4-6-10(11)15/h4-7H,8-9H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyHDOJDYCRQPJGBT-UHFFFAOYSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[tert-butyl-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]acetic acid
CID 79263016
N-[2-(2-chloroanilino)-2-oxoethyl]-N,2,2-trimethylpropanamide
CID 31971689
N-(2-chlorophenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 78962251
2-(2-chloroanilino)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
CID 37471792
2-anilino-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
CID 37229214
3-[acetyl(tert-butyl)amino]-N-(2-chlorophenyl)propanamide
CID 113122534
2-[[2-(2,3-dichloroanilino)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
CID 62821132
2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 2698454
N-(2-chlorophenyl)-2-(dibutylamino)acetamide
CID 18870799
2-[N-acetyl-4-(dimethylamino)anilino]-N-(2-chlorophenyl)acetamide
CID 113176752
5-(2-chloroanilino)-3-methyl-5-oxopentanoic acid
CID 45126722
N-(2-chlorophenyl)-2-sulfanylacetamide
CID 679489

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[2-(2-chloroanilino)-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[2-(2-chloroanilino)-2-oxoethyl]amino]acetic acid (CID 79268949) is 2-[tert-butyl-[2-(2-chloroanilino)-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[2-(2-chloroanilino)-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[2-(2-chloroanilino)-2-oxoethyl]amino]acetic acid is CC(C)(C)N(CC(=O)O)CC(=O)Nc1ccccc1Cl.
What is the InChIKey of 2-[tert-butyl-[2-(2-chloroanilino)-2-oxoethyl]amino]acetic acid?
The InChIKey is HDOJDYCRQPJGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-14(2,3)17(9-13(19)20)8-12(18)16-11-7-5-4-6-10(11)15/h4-7H,8-9H2,1-3H3,(H,16,18)(H,19,20).
What are the key properties of 2-[tert-butyl-[2-(2-chloroanilino)-2-oxoethyl]amino]acetic acid?
2-[tert-butyl-[2-(2-chloroanilino)-2-oxoethyl]amino]acetic acid has a molecular weight of 298.77 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[2-(2-chloroanilino)-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 79268949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).